%chk=000118120.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118120

0 1
 O   0.4583000      -2.171600     -0.5698000    
 N   -3.978200      0.9588000      0.7986000    
 N  -0.6638000     -0.1495000     -0.3995000    
 C   -1.992200     -0.6759000     -0.6155000    
 C   -2.878300      0.3478000      -1.329600    
 C   -2.636700      -1.118600      0.7009000    
 C   -3.317500       1.478700     -0.3983000    
 C   -3.097000      6.6900000E-02   1.551600    
 C   0.4635000     -0.9559000     -0.3954000    
 C    1.752700     -0.2659000     -0.1327000    
 C    2.787300     -0.9806000      0.4345000    
 C    1.874000       1.067500     -0.4642000    
 C    3.997600     -0.3327000      0.6814000    
 C    3.084300       1.715500     -0.2175000    
 C    4.146000       1.015300      0.3554000    
 H   -1.891800      -1.555800      -1.263000    
 H   -3.772000     -0.1616000      -1.713400    
 H   -2.356000      0.7695000      -2.196900    
 H   -1.944900      -1.739000       1.283100    
 H   -3.508600      -1.746300      0.4732000    
 H   -2.464100       2.107100     -0.1178000    
 H   -4.021400       2.125200     -0.9341000    
 H   -3.639600     -0.3105000       2.425300    
 H   -2.231600      0.6238000       1.931100    
 H   -4.256700       1.738000       1.394400    
 H  -0.5933000      0.8258000     -0.1306000    
 H    2.686400      -2.029000      0.6990000    
 H    1.084800       1.638200     -0.9426000    
 H    4.824300     -0.8774000       1.128300    
 H    3.203200       2.763100     -0.4784000    
 H    5.088900       1.519500      0.5461000    


%chk=000118120-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000118120

0 1
O 0.345366 -2.180362 -0.291839
N -3.978095 0.926751 0.822795
N -0.697202 -0.110689 -0.436139
C -2.042434 -0.688885 -0.663678
C -2.955805 0.354849 -1.351447
C -2.689872 -1.176667 0.662852
C -3.352137 1.496360 -0.385736
C -3.085643 0.007373 1.567608
C 0.422444 -0.908220 -0.278586
C 1.739374 -0.195310 -0.081399
C 2.800729 -0.935906 0.498535
C 1.967091 1.151900 -0.468019
C 4.058930 -0.335911 0.712623
C 3.228781 1.751458 -0.258315
C 4.275859 1.011705 0.338783
H -1.893700 -1.564262 -1.321410
H -3.880658 -0.157148 -1.673622
H -2.459891 0.765846 -2.251625
H -1.986460 -1.850380 1.183106
H -3.599706 -1.754706 0.413109
H -2.445926 2.121802 -0.150889
H -4.075008 2.167905 -0.883900
H -3.623873 -0.364664 2.458038
H -2.154810 0.515632 1.929289
H -4.404306 1.642316 1.424103
H -0.622587 0.898633 -0.302591
H 2.612104 -1.981564 0.763086
H 1.182859 1.732212 -0.969805
H 4.869969 -0.915999 1.166472
H 3.398228 2.788311 -0.569332
H 5.253978 1.478019 0.501533


